N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide

C18H23NOS — CID 42916666

IUPACN-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCc1cccs1
InChIInChI=1S/C18H23NOS/c1-3-15(2)19(14-16-8-5-4-6-9-16)18(20)12-11-17-10-7-13-21-17/h4-10,13,15H,3,11-12,14H2,1-2H3
InChIKeyXHSFNAHXGXDXDX-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.51
Rot. Bonds7

About N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide

N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide (PubChem CID 42916666) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide
PubChem CID42916666
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCc1cccs1
InChIInChI=1S/C18H23NOS/c1-3-15(2)19(14-16-8-5-4-6-9-16)18(20)12-11-17-10-7-13-21-17/h4-10,13,15H,3,11-12,14H2,1-2H3
InChIKeyXHSFNAHXGXDXDX-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484611
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-benzyl-N-(2-cyanoethyl)-2-thiophenecarboxamide
CID 2813034
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide (CID 42916666) is N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide is CCC(C)N(Cc1ccccc1)C(=O)CCc1cccs1.
What is the InChIKey of N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide?
The InChIKey is XHSFNAHXGXDXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-15(2)19(14-16-8-5-4-6-9-16)18(20)12-11-17-10-7-13-21-17/h4-10,13,15H,3,11-12,14H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide?
N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide has a molecular weight of 301.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42916666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).